hi all,
I am trying to calculate binding free energies of my protein/ligand complex. I have built the snapshots but when I try to calculate the MMPBSA stability I encounted such an error,
forrtl: severe (64): input conversion error, unit 8, file /atuncel/Desktop/comp/snapshots/complex.mdcrd
Image PC Routine Line Source
sander 0819B6CA Unknown Unknown Unknown
sander 08199D9D Unknown Unknown Unknown
sander 0817B235 Unknown Unknown Unknown
sander 08145AE2 Unknown Unknown Unknown
sander 08145812 Unknown Unknown Unknown
sander 08159DC6 Unknown Unknown Unknown
sander 08158C9F Unknown Unknown Unknown
sander 0809F947 Unknown Unknown Unknown
sander 080748D4 Unknown Unknown Unknown
sander 0807458E Unknown Unknown Unknown
sander 0804A335 Unknown Unknown Unknown
libc.so.6 B7C4BEC2 Unknown Unknown Unknown
sander 0804A261 Unknown Unknown Unknown
/atuncel/Desktop/amber8/exe/sander -O -i sander_com.in -o sander_com.1.out -c /atuncel/Desktop/comp/snapshots/agpase_com.crd.1 -p /atuncel/Desktop/comp/snapshots/complex.mdcrd not successful
When creating the prmtop files I applied the "set default PBradii mbondi2" command. Also the sander seems to be fine with the test command. I am using Amber8 with Fortran90 compiler and Ubuntu 5.10 operating system. Anybody with suggestions? thanks very much....
Aytug
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Received on Wed Aug 16 2006 - 06:07:25 PDT
